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20102-12-9

20102-12-9 structural image
Product Name: Benzeneacetonitrile, α-hydroxy-α-methyl-
Formula: C9H9NO
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COMPUTED DESCRIPTORS

Molecular Weight 147.17 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 147.068413911 g/mol
Monoisotopic Mass 147.068413911 g/mol
Topological Polar Surface Area 44 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 175
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes